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CAS 71721-67-0 ETHYL 2-PYRIDYLGLYOXYLATE OXIME molecular structure lightbox
CAS RN: 71721-67-0

ETHYL 2-PYRIDYLGLYOXYLATE OXIME

  • Product code: SSC-181304
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 71721-67-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

71721-67-0 / ethyl (2E)-2-hydroxyimino-2-pyridin-2-ylacetate

Standard CAS: 71721-67-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71721-67-0
Multi CAS
Yes
Molecular Formula
C9H10N2O3
Molecular Weight
194.190000
Exact Mass
194.069142
InChI
InChI=1S/C9H10N2O3/c1-2-14-9(12)8(11-13)7-5-3-4-6-10-7/h3-6,13H,2H2,1H3/b11-8+
InChIKey
YGQZRRVGGCVMQR-DHZHZOJOSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
49.19
TPSA
71.78

LogP / Solubility

WLOGP
0.82
MLOGP
0.72
XLogP3
2.1
Consensus LogP
1.21
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.75
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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